(3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-6-[(4E,6S,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
| Internal ID | 6941e937-98c4-449e-b2cc-5cf12da6d837 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | (3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-6-[(4E,6S,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H38O12/c1-3-4-5-6-8-11-16(28)17(12-9-7-10-13-27)37-26-24(34)22(32)20(30)18(38-26)14-35-25-23(33)21(31)19(29)15(2)36-25/h3-4,9,12,15-34H,7,10,13-14H2,1-2H3/b4-3+,12-9+/t15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25?,26+/m0/s1 |
| InChI Key | ZJCWKPYYOCTDJH-RHPSSRFKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H38O12 |
| Molecular Weight | 542.60 g/mol |
| Exact Mass | 542.23632664 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of (3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-6-[(4E,6S,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/ad63f5d0-8612-11ee-825f-e3f180b9b8fb.jpg "2D Structure of (3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-6-[(4E,6S,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.13% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 94.02% | 97.36% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.82% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.39% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.16% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.15% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.06% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.52% | 97.25% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 85.64% | 89.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.53% | 96.47% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 85.05% | 92.32% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.00% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.76% | 98.75% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.64% | 95.58% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.58% | 96.38% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.50% | 86.92% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.23% | 97.47% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.63% | 87.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Lobelia nummularia |
| PubChem | 162967649 |
| LOTUS | LTS0125571 |
| wikiData | Q105377797 |